N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine

C15H18ClN3O — CID 114319361

IUPACN-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCn1ccnc1COc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C15H18ClN3O/c1-19-8-7-17-15(19)10-20-14-4-2-3-13(16)12(14)9-18-11-5-6-11/h2-4,7-8,11,18H,5-6,9-10H2,1H3
InChIKeyVEGTVDKKQWKZEV-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.90
Rot. Bonds6

About N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 114319361) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID114319361
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCn1ccnc1COc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C15H18ClN3O/c1-19-8-7-17-15(19)10-20-14-4-2-3-13(16)12(14)9-18-11-5-6-11/h2-4,7-8,11,18H,5-6,9-10H2,1H3
InChIKeyVEGTVDKKQWKZEV-UHFFFAOYSA-N
XLogP2.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319341
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319229
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319226
2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde
CID 60791778
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319356
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 114319361) is N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine is Cn1ccnc1COc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is VEGTVDKKQWKZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-19-8-7-17-15(19)10-20-14-4-2-3-13(16)12(14)9-18-11-5-6-11/h2-4,7-8,11,18H,5-6,9-10H2,1H3.
What are the key properties of N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 291.78 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114319361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).